6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C7H6F3NO2 — CID 130787050

IUPAC6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(CO)[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-5(3-12)11-6(13)2-4/h1-2,12H,3H2,(H,11,13)
InChIKeyNXSUMUSMLZLCSW-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.89
Rot. Bonds1

About 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130787050) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130787050
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(CO)[nH]1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-5(3-12)11-6(13)2-4/h1-2,12H,3H2,(H,11,13)
InChIKeyNXSUMUSMLZLCSW-UHFFFAOYSA-N
XLogP0.89
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130097113
6-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 102719756
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3,5-bis(trifluoromethyl)benzamide
CID 3526595
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 130787050) is 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(CO)[nH]1.
What is the InChIKey of 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NXSUMUSMLZLCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)4-1-5(3-12)11-6(13)2-4/h1-2,12H,3H2,(H,11,13).
What are the key properties of 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130787050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).